N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide

C20H27N5OS — CID 22196535

IUPACN-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide
SMILESCc1nn(C)c(C)c1CN(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2
InChIInChI=1S/C20H27N5OS/c1-13-17(14(2)25(4)23-13)11-24(3)12-19(26)22-20-16(10-21)15-8-6-5-7-9-18(15)27-20/h5-9,11-12H2,1-4H3,(H,22,26)
InChIKeyJURIVWKRSMVCFP-UHFFFAOYSA-N
MW385.54 g/mol
LogP3.31
Rot. Bonds5

About N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide (PubChem CID 22196535) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide
PubChem CID22196535
Molecular FormulaC20H27N5OS
Molecular Weight385.54 g/mol
Exact Mass385.19
IUPAC NameN-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide
SMILESCc1nn(C)c(C)c1CN(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2
InChIInChI=1S/C20H27N5OS/c1-13-17(14(2)25(4)23-13)11-24(3)12-19(26)22-20-16(10-21)15-8-6-5-7-9-18(15)27-20/h5-9,11-12H2,1-4H3,(H,22,26)
InChIKeyJURIVWKRSMVCFP-UHFFFAOYSA-N
XLogP3.31
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide with MolForge

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Related Compounds

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CID 9433943
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CID 75414435
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8025615
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CID 111336320
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CID 17427393
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide
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CID 22200480
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045567
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CID 51171208

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide?
The IUPAC name of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide (CID 22196535) is N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide is Cc1nn(C)c(C)c1CN(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2.
What is the InChIKey of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide?
The InChIKey is JURIVWKRSMVCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5OS/c1-13-17(14(2)25(4)23-13)11-24(3)12-19(26)22-20-16(10-21)15-8-6-5-7-9-18(15)27-20/h5-9,11-12H2,1-4H3,(H,22,26).
What are the key properties of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide?
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide has a molecular weight of 385.54 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 22196535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).